Related papers: From wave-functions to single electron densities
Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…
We consider the behavior of the OPE density $c(\Delta,\ell)$ for conformal four-point functions in the flat-space limit where all scaling dimensions become large. We find evidence that the density reduces to the partial waves $f_\ell(s)$ of…
A rigorous derivation of the density functional in the Hohenberg-Kohn theory is presented. With no assumption regarding the magnitude of the electric coupling constant $e^2$ (or correlation), this work provides a firm basis for…
Using an accurate semi-analytic wavefunction for two electron atoms, we construct the external potential for varying strength of electron-electron (e-e) interaction. Using this potential we explicitly calculate the energy of their positive…
It is shown that `bipartite' wave functions can present a mathematical formalism of quantum theory for a single particle, in which the associated Schr\"{o}dinger's wave functions correspond to those `bipartite' wave functions of product…
We give a new, short proof of the regularity away from the nuclei of the electronic density of a molecule obtained in [1,2]. The new argument is based on the regularity properties of the Coulomb interactions underlined in [3,4] and on…
The advent of the Hohenberg-Kohn theorem in 1964, its extension to finite-T, Kohn-Sham theory, and relativistic extensions provide the well-established formalism of density-functional theory (DFT). This theory enables the calculation of all…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
We use Maxwell's equations in a sourceless, inhomogeneous medium with continuous permeability $\mu (\mathbf{r}) $ and permittivity $% \epsilon (\mathbf{r}) $ to study the wave propagation. The general form of the wave equation is derived…
Using density-functional theory and a tight-binding approach we investigate the physical origin of distinct favourable geometries of adsorbed hydrogen atoms in various graphyne structures, and the relation with electronic properties. In…
Using the Madelung fluid picture of Schr\"odinger equation for a single free particle moving in one spatial dimension, we shall specify a class of wave functions whose quantum probability density is being trapped by the quantum potential it…
The problem of classical particle in linear potential is studied by using the formalism of Hilbert space and tomographic probability distribution. The Liouville equation for this problem is solved by finding the density matrix satisfying…
An analysis of the electron localization properties in doped graphene is performed by doing a numerical multifractal analysis. By obtaining the singularity spectrum of a tight-binding model, it is found that the electron wave functions…
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…
The electron density $n(\rb,t)$, which is the central tool of time-dependent density functional theory, is presently considered to be derivable from a one-body time-dependent potential $V(\rb,t)$, via one-electron wave functions satisfying…
This paper investigates a distinctive spectral pattern exhibited by transmission eigenfunctions in wave scattering theory. Building upon the discovery in [7, 8] that these eigenfunctions localize near the domain boundary, we derive sharp…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
We study the nature of one-electron eigen-states in a one-dimensional diluted Anderson model where every Anderson impurity is diluted by a periodic function $f(l)$ . Using renormalization group and transfer matrix techniques, we provide…
We present a thorough analysis of the electron density distribution (shape) of two electrons, confined in the three-dimensional harmonic oscillator potential, as a function of the perpendicular magnetic field.Explicit algebraic expressions…
We consider the inverse problem of determining the density coefficient appearing in the wave equation from separated point source and point receiver data. Under some assumptions on the coefficients, we prove uniqueness results.